6GCH

STRUCTURE OF CHYMOTRYPSIN-*TRIFLUOROMETHYL KETONE INHIBITOR COMPLEXES. COMPARISON OF SLOWLY AND RAPIDLY EQUILIBRATING INHIBITORS

Experimental procedure

Spacegroup name	P 42 21 2
Unit cell lengths	69.300, 69.300, 97.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 - 2.100
R-factor	0.18
RMSD bond length	0.012
RMSD bond angle	0.029
Refinement software	PROLSQ

Data quality characteristics

	Overall
High resolution limit [Å]	2.100 *
Rmerge	0.065 *
Total number of observations	9225 *
Completeness [%]	65.0 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	5.6 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	gamma-chymotrypsin	15 (mg/ml)
2	1	1	sodium cacodylate	10 (mM)
3	1	1	cetyltrimethylammonium bromide	0.75 (%sat)
4	1	1	ammonium sulfate	44 (%sat)
5	1	2	ammonium sulfate	70-75 (%sat)